Simulation and validation of temperature-dependent ferroelectric properties of multifunctional BCZT and KNBNNO ceramics

The properties of perovskite-structured piezoelectric, pyroelectric and photovoltaic materials are largely dependent on their ferroelectric behaviors, e.g. spontaneous and remanent polarizations. Being able to simulate and predict the ferroelectric properties enables better design and optimization of these materials. In this paper, a ferroelectric model is developed from the original ferromagnetic Jiles-Atherton model, with the incorporation of dynamic and temperature contributions. The model is used to compute the ferroelectric hysteresis loops of two ferroelectric materials at various temperatures—(Ba₀.₈₅Ca₀.₁₅)(Zr₀.₁Ti₀.₉)O₃ (BCZT) exhibiting excellent piezoelectric and pyroelectric properties and (K, Na, Ba)(Nb, Ni)O_3−delta which is very recently discovered to obtain piezoelectric, pyroelectric and photovoltaic properties simultaneously. Good agreement between the simulation and measurement is achieved, with a <5% difference between the simulated and measured polarization values in the ferroelectric hysteresis loops (P-E loops). By predicting their ferroelectric behaviour, the model will stimulate the development of high-performance ferroelectric materials for applications such as sensing and energy harvesting.